N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide

C18H21ClN2O3 — CID 110664504

IUPACN-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-21(15-6-4-14(19)5-7-15)9-8-20-18(22)13-10-16(23-2)12-17(11-13)24-3/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)
InChIKeyBTAUMIQEASGZSS-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide

N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide (PubChem CID 110664504) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide
PubChem CID110664504
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-21(15-6-4-14(19)5-7-15)9-8-20-18(22)13-10-16(23-2)12-17(11-13)24-3/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)
InChIKeyBTAUMIQEASGZSS-UHFFFAOYSA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 110664507
5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide
CID 100530036
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113059902
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395019
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113069746
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 113055017

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide (CID 110664504) is N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCN(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is BTAUMIQEASGZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-21(15-6-4-14(19)5-7-15)9-8-20-18(22)13-10-16(23-2)12-17(11-13)24-3/h4-7,10-12H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide?
N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 348.83 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110664504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).